SCHEMBL8720766

SCHEMBL8720766

O=C(c1cccc(C(F)(F)F)c1)c1ccc2scc(C3=CCN4CCCCC4CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SRD5A2 P31213 1/20 0.37
HSD11B1 P28845 1/20 0.34
CCR2 P41597 3/20 0.34
KCNH2 Q12809 2/20 0.34
VNN1 O95497 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MGLL Q99685 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL35210767 0.89 TDP1 (0.41) HRH3LMNAUSP2TP53MAPT
SCHEMBL8724062 0.87 HRH3 (0.40) HRH3MGLL
SCHEMBL8708470 0.84 CACNA1B (0.33) MAPT
SCHEMBL8720752 0.81 MEN1 (0.38) HRH3LMNAHPGDMAPT
SCHEMBL30908873 0.81 HRH3 (0.39) HRH3CNR2
SCHEMBL30909167 0.80 HRH3 (0.38) HRH3LMNAHPGDUSP2TP53
SCHEMBL8721871 0.79 HRH3 (0.40) HRH3HPGDTP53MAPTCNR2
SCHEMBL8724259 0.77 HRH3 (0.39) HRH3HPGD
SCHEMBL8720711 0.77 TP53 (0.44) LMNAHSD11B1TP53MAPT
SCHEMBL8725926 0.76 TDP1 (0.41) LMNAPOLBTP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed